N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide

C6H6F2N2OS — CID 155193876

IUPACN-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(F)F)cs1
InChIInChI=1S/C6H6F2N2OS/c1-3(11)9-6-10-4(2-12-6)5(7)8/h2,5H,1H3,(H,9,10,11)
InChIKeyUCZRBTKBMHQXHV-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.04
Rot. Bonds2

About N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide

N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 155193876) has the molecular formula C6H6F2N2OS and a molecular weight of 192.19 g/mol. Its IUPAC name is N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID155193876
Molecular FormulaC6H6F2N2OS
Molecular Weight192.19 g/mol
Exact Mass192.02
IUPAC NameN-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(F)F)cs1
InChIInChI=1S/C6H6F2N2OS/c1-3(11)9-6-10-4(2-12-6)5(7)8/h2,5H,1H3,(H,9,10,11)
InChIKeyUCZRBTKBMHQXHV-UHFFFAOYSA-N
XLogP2.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 155193876) is N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(F)F)cs1.
What is the InChIKey of N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UCZRBTKBMHQXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2OS/c1-3(11)9-6-10-4(2-12-6)5(7)8/h2,5H,1H3,(H,9,10,11).
What are the key properties of N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 192.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155193876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).